| SpectraBase Spectrum ID |
8RGNDsFcjVl |
| Name |
(R)-1-(4-bromophenyl)-2-hydroxy-4-phenyl-2-(trifluoromethyl)but-3-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H10BrF3O2 |
| InChI |
InChI=1S/C17H10BrF3O2/c18-14-8-6-13(7-9-14)15(22)16(23,17(19,20)21)11-10-12-4-2-1-3-5-12/h1-9,23H/t16-/m1/s1 |
| InChIKey |
RMIWPSKOEAXLNP-MRXNPFEDSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
383.164 g/mol |
| Optical Rotation |
[a]D(rt) = 55.8 (c = 1.0, CH2Cl2) |
| Quality |
247 |
| Reported Formula |
C17H10O2F3Br |
| SMILES |
O[C@](C#CC=1C=CC=CC1)(C(C1=CC=C(C=C1)Br)=O)C(F)(F)F |
| SPLASH |
splash10-053r-0900000000-4aaec604e35170c254bd |
| Sample Comments |
99% ee |
| Source of Spectrum |
QE-21-SM6-4h (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906606 |
